REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ip8_1_A DATA FIRST_RESID 7 DATA SEQUENCE PTIGMIVPPA AGLVPADGAR LYPDLPFIAS GLGLGSVTPE GYDAVIESVV DATA SEQUENCE DHARRLQKQG AAVVSLMGTS LSFYRGAAFN AALTVAMREA TGLPCTTMST DATA SEQUENCE AVLNGLRALG VRRVALATAY IDDVNERLAA FLAEESLVPT GCRSLGITGV DATA SEQUENCE EAMARVDTAT LVDLCVRAFE AAPDSDGILL SCGGLLTLDA IPEVERRLGV DATA SEQUENCE PVVSSSPAGF WDAVRLAGGG AKARPGYGRL FD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.212 177.300 -0.146 0.000 1.155 7 P CA 0.000 63.037 63.100 -0.105 0.000 0.800 7 P CB 0.000 31.645 31.700 -0.092 0.000 0.726 8 T N 2.407 116.888 114.554 -0.121 0.000 2.867 8 T HA 0.325 4.679 4.350 0.007 0.000 0.297 8 T C 0.543 175.167 174.700 -0.127 0.000 0.989 8 T CA 0.316 62.333 62.100 -0.137 0.000 1.159 8 T CB -0.050 68.772 68.868 -0.078 0.000 0.928 8 T HN 0.206 nan 8.240 nan 0.000 0.538 9 I N 2.889 123.354 120.570 -0.176 0.000 2.321 9 I HA 0.442 4.616 4.170 0.007 0.000 0.291 9 I C 1.003 177.154 176.117 0.056 0.000 0.998 9 I CA -0.544 60.715 61.300 -0.068 0.000 1.227 9 I CB 1.374 39.331 38.000 -0.071 0.000 1.368 9 I HN 0.645 nan 8.210 nan 0.000 0.466 10 G N 6.848 115.671 108.800 0.038 0.000 2.367 10 G HA2 0.726 4.691 3.960 0.007 0.000 0.314 10 G HA3 0.726 4.691 3.960 0.007 0.000 0.314 10 G C -0.683 174.240 174.900 0.038 0.000 1.130 10 G CA -0.589 44.542 45.100 0.052 0.000 0.864 10 G HN 0.474 nan 8.290 nan 0.000 0.486 11 M N 2.098 121.720 119.600 0.036 0.000 2.204 11 M HA 0.356 4.840 4.480 0.007 0.000 0.293 11 M C -0.678 175.615 176.300 -0.012 0.000 0.994 11 M CA -0.415 54.874 55.300 -0.019 0.000 0.925 11 M CB 2.629 35.187 32.600 -0.071 0.000 1.577 11 M HN 0.277 nan 8.290 nan 0.000 0.439 12 I N 4.491 125.042 120.570 -0.030 0.000 2.352 12 I HA 0.325 4.500 4.170 0.007 0.000 0.290 12 I C -0.061 176.008 176.117 -0.079 0.000 1.036 12 I CA -0.813 60.459 61.300 -0.047 0.000 1.336 12 I CB 0.597 38.567 38.000 -0.049 0.000 1.407 12 I HN 0.409 nan 8.210 nan 0.000 0.497 13 V N 4.307 124.171 119.914 -0.083 0.000 2.715 13 V HA 0.481 4.605 4.120 0.007 0.000 0.310 13 V C -2.346 173.696 176.094 -0.087 0.000 1.054 13 V CA -1.844 60.413 62.300 -0.071 0.000 0.928 13 V CB 1.571 33.372 31.823 -0.037 0.000 1.007 13 V HN 0.401 nan 8.190 nan 0.000 0.437 14 P HA 0.059 nan 4.420 nan 0.000 0.215 14 P C -2.197 175.075 177.300 -0.046 0.000 1.157 14 P CA 1.165 64.229 63.100 -0.060 0.000 0.868 14 P CB -1.183 30.498 31.700 -0.032 0.000 0.788 15 P HA 0.038 nan 4.420 nan 0.000 0.271 15 P C 0.604 177.895 177.300 -0.016 0.000 1.218 15 P CA 0.374 63.466 63.100 -0.014 0.000 0.780 15 P CB 0.336 32.035 31.700 -0.001 0.000 0.901 16 A N 3.361 126.177 122.820 -0.006 0.000 1.940 16 A HA -0.207 4.117 4.320 0.007 0.000 0.219 16 A C 2.091 179.684 177.584 0.015 0.000 1.176 16 A CA 2.245 54.284 52.037 0.005 0.000 0.631 16 A CB -1.702 17.303 19.000 0.009 0.000 0.814 16 A HN 0.560 nan 8.150 nan 0.000 0.446 17 A N -1.459 121.369 122.820 0.013 0.000 2.070 17 A HA 0.305 4.630 4.320 0.007 0.000 0.220 17 A C 2.032 179.631 177.584 0.025 0.000 1.159 17 A CA 1.529 53.578 52.037 0.019 0.000 0.656 17 A CB -1.206 17.804 19.000 0.016 0.000 0.800 17 A HN 2.039 nan 8.150 nan 0.000 0.453 18 G N -1.070 107.742 108.800 0.020 0.000 2.246 18 G HA2 -0.219 3.746 3.960 0.007 0.000 0.273 18 G HA3 -0.219 3.746 3.960 0.007 0.000 0.273 18 G C -0.028 174.893 174.900 0.034 0.000 1.055 18 G CA 0.405 45.521 45.100 0.028 0.000 0.851 18 G HN 0.515 nan 8.290 nan 0.000 0.500 19 L N -0.438 120.803 121.223 0.030 0.000 2.418 19 L HA 0.454 4.798 4.340 0.007 0.000 0.265 19 L C 1.304 178.202 176.870 0.047 0.000 1.143 19 L CA -1.196 53.667 54.840 0.038 0.000 0.809 19 L CB 1.085 43.163 42.059 0.031 0.000 1.124 19 L HN -0.045 nan 8.230 nan 0.000 0.456 20 V N 2.634 122.588 119.914 0.067 0.000 2.599 20 V HA 0.040 4.164 4.120 0.007 0.000 0.300 20 V C -1.806 174.340 176.094 0.087 0.000 1.034 20 V CA -1.028 61.324 62.300 0.087 0.000 1.115 20 V CB 0.091 31.991 31.823 0.128 0.000 0.934 20 V HN 0.651 nan 8.190 nan 0.000 0.485 21 P HA 0.111 nan 4.420 nan 0.000 0.267 21 P C 0.583 177.926 177.300 0.072 0.000 1.200 21 P CA 0.065 63.250 63.100 0.141 0.000 0.772 21 P CB 0.663 32.505 31.700 0.237 0.000 0.855 22 A N 2.545 125.360 122.820 -0.008 0.000 2.070 22 A HA -0.183 4.142 4.320 0.007 0.000 0.220 22 A C 1.553 178.999 177.584 -0.229 0.000 1.159 22 A CA 1.601 53.585 52.037 -0.088 0.000 0.656 22 A CB -0.927 18.036 19.000 -0.061 0.000 0.800 22 A HN 0.476 nan 8.150 nan 0.000 0.453 23 D N -0.080 120.131 120.400 -0.314 0.000 2.219 23 D HA -0.047 4.597 4.640 0.007 0.000 0.205 23 D C 2.015 177.748 176.300 -0.946 0.000 0.970 23 D CA 1.174 54.837 54.000 -0.561 0.000 0.851 23 D CB -0.629 39.891 40.800 -0.467 0.000 0.943 23 D HN 0.432 nan 8.370 nan 0.000 0.488 24 G N 0.977 108.977 108.800 -1.333 0.000 2.440 24 G HA2 -0.246 3.718 3.960 0.007 0.000 0.218 24 G HA3 -0.246 3.718 3.960 0.007 0.000 0.218 24 G C 1.675 176.304 174.900 -0.451 0.000 1.154 24 G CA 1.113 45.410 45.100 -1.338 0.000 0.767 24 G HN 0.399 nan 8.290 nan 0.000 0.552 25 A N 0.168 122.815 122.820 -0.288 0.000 2.067 25 A HA 0.114 4.438 4.320 0.007 0.000 0.219 25 A C 2.442 179.931 177.584 -0.158 0.000 1.158 25 A CA 1.410 53.378 52.037 -0.114 0.000 0.661 25 A CB -0.213 18.747 19.000 -0.065 0.000 0.801 25 A HN 0.392 nan 8.150 nan 0.000 0.452 26 R N -0.879 119.441 120.500 -0.300 0.000 2.075 26 R HA 0.214 4.559 4.340 0.007 0.000 0.220 26 R C 1.913 177.933 176.300 -0.466 0.000 1.118 26 R CA 0.910 56.812 56.100 -0.329 0.000 0.986 26 R CB -0.327 29.716 30.300 -0.429 0.000 0.884 26 R HN 0.437 nan 8.270 nan 0.000 0.439 27 L N -0.786 120.009 121.223 -0.714 0.000 2.072 27 L HA -0.079 4.265 4.340 0.007 0.000 0.205 27 L C 0.369 176.784 176.870 -0.757 0.000 1.079 27 L CA 1.098 55.392 54.840 -0.911 0.000 0.752 27 L CB 0.097 41.487 42.059 -1.115 0.000 0.906 27 L HN 0.174 nan 8.230 nan 0.000 0.436 28 Y N -1.492 118.739 120.300 -0.115 0.000 2.490 28 Y HA 0.261 4.814 4.550 0.005 0.000 0.346 28 Y C -1.769 174.187 175.900 0.093 0.000 1.023 28 Y CA -2.300 55.840 58.100 0.067 0.000 1.142 28 Y CB -0.036 38.579 38.460 0.258 0.000 1.126 28 Y HN -0.054 nan 8.280 nan 0.000 0.647 29 P HA -0.124 nan 4.420 nan 0.000 0.219 29 P C 0.551 177.922 177.300 0.119 0.000 1.146 29 P CA 1.565 64.721 63.100 0.093 0.000 0.808 29 P CB 0.532 32.256 31.700 0.041 0.000 0.779 30 D N -1.151 119.326 120.400 0.128 0.000 2.340 30 D HA 0.079 4.723 4.640 0.007 0.000 0.220 30 D C 0.440 176.778 176.300 0.064 0.000 1.039 30 D CA 0.368 54.420 54.000 0.087 0.000 0.866 30 D CB 0.096 40.940 40.800 0.073 0.000 0.913 30 D HN 0.168 nan 8.370 nan 0.000 0.523 31 L N 1.977 123.257 121.223 0.096 0.000 2.322 31 L HA 0.357 4.702 4.340 0.007 0.000 0.279 31 L C -2.128 174.623 176.870 -0.198 0.000 1.036 31 L CA -1.868 52.919 54.840 -0.088 0.000 0.807 31 L CB 0.926 42.876 42.059 -0.182 0.000 1.226 31 L HN -0.224 nan 8.230 nan 0.000 0.433 32 P HA 0.389 nan 4.420 nan 0.000 0.293 32 P C -1.308 175.717 177.300 -0.459 0.000 1.300 32 P CA -0.169 62.791 63.100 -0.232 0.000 0.792 32 P CB 0.536 32.148 31.700 -0.146 0.000 0.925 33 F N 3.116 123.107 119.950 0.068 0.000 2.563 33 F HA 0.575 5.105 4.527 0.004 0.000 0.316 33 F C 0.700 176.533 175.800 0.055 0.000 1.076 33 F CA -0.951 57.094 58.000 0.075 0.000 0.921 33 F CB 1.907 41.000 39.000 0.154 0.000 1.209 33 F HN 0.224 nan 8.300 nan 0.000 0.462 34 I N 0.073 120.776 120.570 0.222 0.000 3.042 34 I HA 1.035 5.210 4.170 0.007 0.000 0.310 34 I C -1.234 174.957 176.117 0.123 0.000 1.117 34 I CA -1.072 60.312 61.300 0.141 0.000 1.003 34 I CB 2.220 40.269 38.000 0.080 0.000 1.228 34 I HN 0.641 nan 8.210 nan 0.000 0.443 35 A N 2.161 125.036 122.820 0.092 0.000 2.556 35 A HA 0.847 5.171 4.320 0.007 0.000 0.294 35 A C -1.097 176.530 177.584 0.072 0.000 1.091 35 A CA -0.623 51.456 52.037 0.070 0.000 0.704 35 A CB 1.949 20.984 19.000 0.059 0.000 1.300 35 A HN 0.763 nan 8.150 nan 0.000 0.406 36 S N -0.400 115.345 115.700 0.075 0.000 2.571 36 S HA 0.656 5.130 4.470 0.007 0.000 0.284 36 S C -0.148 174.484 174.600 0.053 0.000 1.128 36 S CA 0.163 58.444 58.200 0.135 0.000 0.970 36 S CB 1.222 64.577 63.200 0.259 0.000 1.039 36 S HN 1.760 nan 8.310 nan 0.000 0.485 37 G N 3.355 112.182 108.800 0.045 0.000 2.332 37 G HA2 0.502 4.466 3.960 0.007 0.000 0.310 37 G HA3 0.502 4.466 3.960 0.007 0.000 0.310 37 G C 0.587 175.372 174.900 -0.190 0.000 1.123 37 G CA -0.628 44.438 45.100 -0.056 0.000 0.873 37 G HN 0.763 nan 8.290 nan 0.000 0.460 38 L N 2.107 123.160 121.223 -0.285 0.000 2.240 38 L HA 0.166 4.510 4.340 0.007 0.000 0.211 38 L C 2.100 178.912 176.870 -0.095 0.000 1.106 38 L CA 0.893 55.543 54.840 -0.316 0.000 0.793 38 L CB -0.063 41.846 42.059 -0.250 0.000 0.927 38 L HN 0.851 nan 8.230 nan 0.000 0.446 39 G N 1.103 109.870 108.800 -0.055 0.000 2.182 39 G HA2 -0.273 3.691 3.960 0.007 0.000 0.248 39 G HA3 -0.273 3.691 3.960 0.007 0.000 0.248 39 G C -0.062 174.825 174.900 -0.022 0.000 1.042 39 G CA -0.034 45.054 45.100 -0.019 0.000 0.775 39 G HN 0.155 nan 8.290 nan 0.000 0.501 40 L N 0.874 122.079 121.223 -0.029 0.000 2.540 40 L HA 0.551 4.896 4.340 0.007 0.000 0.276 40 L C 1.501 178.356 176.870 -0.026 0.000 1.212 40 L CA 1.625 56.451 54.840 -0.023 0.000 0.893 40 L CB 0.842 42.898 42.059 -0.006 0.000 1.138 40 L HN 0.283 nan 8.230 nan 0.000 0.491 41 G N 2.528 111.302 108.800 -0.043 0.000 2.662 41 G HA2 0.200 4.164 3.960 0.007 0.000 0.212 41 G HA3 0.200 4.164 3.960 0.007 0.000 0.212 41 G C 0.107 174.972 174.900 -0.059 0.000 1.141 41 G CA 0.659 45.732 45.100 -0.046 0.000 0.797 41 G HN 0.883 nan 8.290 nan 0.000 0.531 42 S N -1.537 114.107 115.700 -0.093 0.000 2.552 42 S HA 0.365 4.840 4.470 0.007 0.000 0.272 42 S C -1.033 173.464 174.600 -0.171 0.000 1.150 42 S CA -0.626 57.508 58.200 -0.110 0.000 0.849 42 S CB 1.834 64.957 63.200 -0.129 0.000 1.113 42 S HN 0.188 nan 8.310 nan 0.000 0.458 43 V N 2.562 122.411 119.914 -0.108 0.000 2.056 43 V HA 0.479 4.603 4.120 0.007 0.000 0.267 43 V C 0.464 176.397 176.094 -0.270 0.000 1.535 43 V CA 0.571 62.830 62.300 -0.069 0.000 1.475 43 V CB -1.226 30.669 31.823 0.121 0.000 1.441 43 V HN 1.092 nan 8.190 nan 0.000 0.500 44 T N 0.025 114.142 114.554 -0.728 0.000 2.868 44 T HA 0.483 4.837 4.350 0.007 0.000 0.306 44 T C -2.453 171.473 174.700 -1.291 0.000 1.224 44 T CA -1.823 59.857 62.100 -0.699 0.000 1.012 44 T CB 2.559 71.208 68.868 -0.365 0.000 1.221 44 T HN 0.039 nan 8.240 nan 0.000 0.499 45 P HA -0.069 nan 4.420 nan 0.000 0.216 45 P C 1.119 178.191 177.300 -0.380 0.000 1.153 45 P CA 1.207 64.038 63.100 -0.449 0.000 0.858 45 P CB 0.081 31.777 31.700 -0.006 0.000 0.789 46 E N -0.728 119.296 120.200 -0.293 0.000 2.110 46 E HA -0.104 4.250 4.350 0.007 0.000 0.193 46 E C 2.275 178.730 176.600 -0.242 0.000 0.988 46 E CA 1.561 57.845 56.400 -0.193 0.000 0.804 46 E CB -1.451 28.165 29.700 -0.140 0.000 0.745 46 E HN 0.224 nan 8.360 nan 0.000 0.458 47 G N 0.032 108.597 108.800 -0.393 0.000 2.421 47 G HA2 -0.271 3.693 3.960 0.007 0.000 0.216 47 G HA3 -0.271 3.693 3.960 0.007 0.000 0.216 47 G C 1.026 175.758 174.900 -0.280 0.000 1.171 47 G CA 0.964 45.857 45.100 -0.344 0.000 0.775 47 G HN 0.219 nan 8.290 nan 0.000 0.543 48 Y N 1.520 121.626 120.300 -0.322 0.000 2.181 48 Y HA -0.034 4.523 4.550 0.011 0.000 0.288 48 Y C 2.538 178.323 175.900 -0.192 0.000 1.146 48 Y CA 0.513 58.368 58.100 -0.407 0.000 1.164 48 Y CB -0.764 37.071 38.460 -1.041 0.000 0.982 48 Y HN 0.144 nan 8.280 nan 0.000 0.515 49 D N -0.193 120.209 120.400 0.002 0.000 2.221 49 D HA -0.122 4.522 4.640 0.007 0.000 0.204 49 D C 2.157 178.482 176.300 0.041 0.000 0.982 49 D CA 1.316 55.364 54.000 0.080 0.000 0.857 49 D CB -0.344 40.489 40.800 0.055 0.000 0.934 49 D HN 0.360 nan 8.370 nan 0.000 0.475 50 A N 0.100 122.920 122.820 -0.000 0.000 2.119 50 A HA 0.010 4.335 4.320 0.007 0.000 0.216 50 A C 2.084 179.681 177.584 0.021 0.000 1.152 50 A CA 1.245 53.283 52.037 0.002 0.000 0.708 50 A CB 0.021 19.007 19.000 -0.023 0.000 0.805 50 A HN 0.240 nan 8.150 nan 0.000 0.460 51 V N -4.414 115.518 119.914 0.031 0.000 3.548 51 V HA 0.237 4.362 4.120 0.007 0.000 0.279 51 V C 1.767 177.900 176.094 0.065 0.000 1.446 51 V CA 0.526 62.849 62.300 0.038 0.000 1.023 51 V CB -0.352 31.474 31.823 0.005 0.000 0.820 51 V HN 0.158 nan 8.190 nan 0.000 0.438 52 I N 2.305 122.935 120.570 0.101 0.000 2.361 52 I HA -0.141 4.033 4.170 0.007 0.000 0.251 52 I C 2.250 178.459 176.117 0.153 0.000 1.133 52 I CA 1.907 63.301 61.300 0.156 0.000 1.413 52 I CB -0.227 37.932 38.000 0.264 0.000 1.073 52 I HN 0.446 nan 8.210 nan 0.000 0.424 53 E N -0.612 119.662 120.200 0.123 0.000 2.418 53 E HA -0.098 4.256 4.350 0.007 0.000 0.197 53 E C 1.917 178.578 176.600 0.101 0.000 1.026 53 E CA 0.928 57.395 56.400 0.110 0.000 0.862 53 E CB -0.149 29.600 29.700 0.083 0.000 0.799 53 E HN 0.609 nan 8.360 nan 0.000 0.518 54 S N -0.573 115.196 115.700 0.114 0.000 2.556 54 S HA 0.048 4.522 4.470 0.007 0.000 0.216 54 S C 1.868 176.591 174.600 0.205 0.000 0.970 54 S CA -0.228 58.067 58.200 0.158 0.000 0.912 54 S CB 0.233 63.557 63.200 0.207 0.000 0.790 54 S HN 0.007 nan 8.310 nan 0.000 0.504 55 V N 1.715 121.706 119.914 0.128 0.000 2.332 55 V HA -0.167 3.957 4.120 0.007 0.000 0.248 55 V C 2.591 178.743 176.094 0.098 0.000 1.055 55 V CA 1.882 64.240 62.300 0.097 0.000 1.038 55 V CB -0.786 31.066 31.823 0.048 0.000 0.651 55 V HN 0.499 nan 8.190 nan 0.000 0.450 56 V N 0.171 120.128 119.914 0.072 0.000 2.343 56 V HA -0.265 3.860 4.120 0.007 0.000 0.247 56 V C 2.284 178.403 176.094 0.042 0.000 1.051 56 V CA 2.239 64.565 62.300 0.044 0.000 1.036 56 V CB -0.708 31.134 31.823 0.031 0.000 0.654 56 V HN 0.579 nan 8.190 nan 0.000 0.451 57 D N -1.221 119.206 120.400 0.045 0.000 2.144 57 D HA -0.161 4.483 4.640 0.007 0.000 0.199 57 D C 2.100 178.367 176.300 -0.054 0.000 0.984 57 D CA 1.296 55.287 54.000 -0.016 0.000 0.834 57 D CB -0.324 40.449 40.800 -0.045 0.000 0.955 57 D HN 0.535 nan 8.370 nan 0.000 0.465 58 H N 0.172 119.244 119.070 0.003 0.000 2.428 58 H HA 0.089 4.649 4.556 0.007 0.000 0.296 58 H C 2.043 177.369 175.328 -0.004 0.000 1.062 58 H CA 1.047 57.095 56.048 0.000 0.000 1.350 58 H CB 0.199 29.961 29.762 0.001 0.000 1.403 58 H HN 0.081 nan 8.280 nan 0.000 0.533 59 A N 1.502 124.381 122.820 0.099 0.000 1.877 59 A HA -0.186 4.138 4.320 0.007 0.000 0.216 59 A C 2.475 180.069 177.584 0.018 0.000 1.186 59 A CA 1.233 53.297 52.037 0.044 0.000 0.620 59 A CB -0.395 18.618 19.000 0.022 0.000 0.822 59 A HN 0.306 nan 8.150 nan 0.000 0.443 60 R N -0.779 119.724 120.500 0.005 0.000 2.096 60 R HA -0.093 4.251 4.340 0.007 0.000 0.235 60 R C 2.455 178.743 176.300 -0.020 0.000 1.127 60 R CA 1.429 57.522 56.100 -0.012 0.000 0.968 60 R CB -0.314 29.975 30.300 -0.019 0.000 0.861 60 R HN 0.505 nan 8.270 nan 0.000 0.440 61 R N 0.534 121.013 120.500 -0.036 0.000 2.091 61 R HA -0.115 4.229 4.340 0.007 0.000 0.238 61 R C 2.349 178.645 176.300 -0.006 0.000 1.136 61 R CA 1.268 57.343 56.100 -0.041 0.000 0.959 61 R CB -0.389 29.860 30.300 -0.085 0.000 0.856 61 R HN 0.215 nan 8.270 nan 0.000 0.437 62 L N 0.472 121.703 121.223 0.014 0.000 2.056 62 L HA -0.180 4.165 4.340 0.007 0.000 0.207 62 L C 2.846 179.720 176.870 0.007 0.000 1.078 62 L CA 1.215 56.068 54.840 0.021 0.000 0.749 62 L CB -0.444 41.635 42.059 0.034 0.000 0.901 62 L HN 0.282 nan 8.230 nan 0.000 0.433 63 Q N 0.673 120.474 119.800 0.001 0.000 2.124 63 Q HA -0.241 4.103 4.340 0.007 0.000 0.202 63 Q C 2.013 178.008 176.000 -0.008 0.000 0.977 63 Q CA 1.581 57.380 55.803 -0.006 0.000 0.850 63 Q CB 0.098 28.831 28.738 -0.009 0.000 0.901 63 Q HN 0.423 nan 8.270 nan 0.000 0.429 64 K N -0.153 120.242 120.400 -0.009 0.000 2.365 64 K HA -0.115 4.209 4.320 0.007 0.000 0.199 64 K C 1.668 178.264 176.600 -0.007 0.000 1.045 64 K CA 0.916 57.197 56.287 -0.010 0.000 0.962 64 K CB 0.147 32.639 32.500 -0.014 0.000 0.759 64 K HN 0.353 nan 8.250 nan 0.000 0.469 65 Q N -0.688 119.111 119.800 -0.002 0.000 2.360 65 Q HA 0.079 4.423 4.340 0.007 0.000 0.202 65 Q C 0.528 176.528 176.000 -0.000 0.000 0.915 65 Q CA 0.326 56.130 55.803 0.002 0.000 0.943 65 Q CB 1.014 29.758 28.738 0.011 0.000 1.064 65 Q HN 0.460 nan 8.270 nan 0.000 0.511 66 G N 0.410 109.207 108.800 -0.005 0.000 2.138 66 G HA2 -0.216 3.749 3.960 0.007 0.000 0.193 66 G HA3 -0.216 3.749 3.960 0.007 0.000 0.193 66 G C 0.134 175.024 174.900 -0.016 0.000 0.998 66 G CA -0.210 44.884 45.100 -0.011 0.000 0.668 66 G HN 0.458 nan 8.290 nan 0.000 0.516 67 A N -0.032 122.781 122.820 -0.011 0.000 2.462 67 A HA 0.768 5.092 4.320 0.007 0.000 0.243 67 A C 1.469 179.037 177.584 -0.025 0.000 1.076 67 A CA 1.117 53.144 52.037 -0.016 0.000 0.773 67 A CB 0.766 19.764 19.000 -0.004 0.000 1.010 67 A HN 1.761 nan 8.150 nan 0.000 0.493 68 A N 1.897 124.694 122.820 -0.038 0.000 2.197 68 A HA 0.462 4.787 4.320 0.007 0.000 0.210 68 A C 0.780 178.339 177.584 -0.041 0.000 1.180 68 A CA 1.121 53.133 52.037 -0.041 0.000 0.846 68 A CB -0.379 18.590 19.000 -0.051 0.000 0.884 68 A HN 2.041 nan 8.150 nan 0.000 0.487 69 V N -3.972 115.917 119.914 -0.041 0.000 3.114 69 V HA 0.813 4.938 4.120 0.007 0.000 0.308 69 V C -1.267 174.811 176.094 -0.027 0.000 1.168 69 V CA -0.869 61.408 62.300 -0.039 0.000 1.015 69 V CB 1.737 33.530 31.823 -0.050 0.000 1.050 69 V HN 0.004 nan 8.190 nan 0.000 0.433 70 V N 1.757 121.655 119.914 -0.026 0.000 2.638 70 V HA 0.747 4.872 4.120 0.007 0.000 0.306 70 V C -0.182 175.893 176.094 -0.032 0.000 1.052 70 V CA -0.032 62.257 62.300 -0.020 0.000 0.885 70 V CB 1.861 33.677 31.823 -0.012 0.000 0.999 70 V HN 1.203 nan 8.190 nan 0.000 0.424 71 S N 4.057 119.733 115.700 -0.039 0.000 2.473 71 S HA 0.640 5.114 4.470 0.007 0.000 0.307 71 S C -0.865 173.698 174.600 -0.061 0.000 1.094 71 S CA -0.564 57.602 58.200 -0.057 0.000 1.070 71 S CB 1.288 64.439 63.200 -0.082 0.000 1.019 71 S HN 0.690 nan 8.310 nan 0.000 0.480 72 L N 6.374 127.560 121.223 -0.061 0.000 2.363 72 L HA 0.443 4.787 4.340 0.007 0.000 0.286 72 L C 0.074 176.895 176.870 -0.081 0.000 1.106 72 L CA 0.346 55.144 54.840 -0.070 0.000 0.859 72 L CB 0.177 42.193 42.059 -0.073 0.000 1.223 72 L HN 0.701 nan 8.230 nan 0.000 0.446 73 M N 5.257 124.803 119.600 -0.090 0.000 3.709 73 M HA 0.355 4.839 4.480 0.007 0.000 0.202 73 M C 0.443 176.698 176.300 -0.075 0.000 1.360 73 M CA 0.075 55.320 55.300 -0.092 0.000 1.600 73 M CB -0.649 31.873 32.600 -0.130 0.000 1.061 73 M HN 0.698 nan 8.290 nan 0.000 0.575 74 G N 0.081 108.828 108.800 -0.089 0.000 2.723 74 G HA2 0.471 4.435 3.960 0.007 0.000 0.295 74 G HA3 0.471 4.435 3.960 0.007 0.000 0.295 74 G C 0.435 175.240 174.900 -0.158 0.000 1.464 74 G CA -0.399 44.630 45.100 -0.119 0.000 1.012 74 G HN 0.377 nan 8.290 nan 0.000 0.522 75 T N 1.320 115.803 114.554 -0.118 0.000 2.668 75 T HA -0.118 4.236 4.350 0.007 0.000 0.258 75 T C 2.874 177.196 174.700 -0.630 0.000 1.051 75 T CA 1.799 63.841 62.100 -0.097 0.000 1.155 75 T CB -0.414 68.581 68.868 0.211 0.000 0.864 75 T HN 0.684 nan 8.240 nan 0.000 0.413 76 S N 2.225 117.347 115.700 -0.964 0.000 2.402 76 S HA 0.042 4.517 4.470 0.007 0.000 0.229 76 S C 2.135 175.805 174.600 -1.552 0.000 1.021 76 S CA 0.572 57.602 58.200 -1.950 0.000 0.974 76 S CB -1.004 61.360 63.200 -1.392 0.000 0.800 76 S HN 0.325 nan 8.310 nan 0.000 0.484 77 L N 2.032 122.569 121.223 -1.143 0.000 2.127 77 L HA -0.124 4.220 4.340 0.007 0.000 0.211 77 L C 2.818 179.520 176.870 -0.281 0.000 1.089 77 L CA 1.591 55.944 54.840 -0.812 0.000 0.757 77 L CB -0.534 41.268 42.059 -0.428 0.000 0.899 77 L HN 0.623 nan 8.230 nan 0.000 0.434 78 S N -1.176 114.325 115.700 -0.333 0.000 2.503 78 S HA -0.040 4.434 4.470 0.007 0.000 0.215 78 S C 1.404 175.911 174.600 -0.156 0.000 1.003 78 S CA -0.052 58.054 58.200 -0.157 0.000 0.910 78 S CB -0.181 62.924 63.200 -0.159 0.000 0.790 78 S HN 0.483 nan 8.310 nan 0.000 0.514 79 F N 1.639 121.425 119.950 -0.273 0.000 2.731 79 F HA 0.380 4.909 4.527 0.004 0.000 0.298 79 F C 1.682 177.409 175.800 -0.121 0.000 1.106 79 F CA -1.446 56.275 58.000 -0.465 0.000 1.329 79 F CB -1.077 37.366 39.000 -0.929 0.000 1.100 79 F HN 0.255 nan 8.300 nan 0.000 0.592 80 Y N 0.843 121.034 120.300 -0.183 0.000 2.497 80 Y HA 0.224 4.777 4.550 0.006 0.000 0.292 80 Y C 1.626 177.572 175.900 0.075 0.000 1.137 80 Y CA 0.830 58.930 58.100 -0.001 0.000 1.285 80 Y CB -0.570 37.809 38.460 -0.134 0.000 0.991 80 Y HN 0.019 nan 8.280 nan 0.000 0.556 81 R N 0.990 121.279 120.500 -0.353 0.000 2.397 81 R HA 0.364 4.708 4.340 0.007 0.000 0.241 81 R C 0.358 176.643 176.300 -0.025 0.000 0.914 81 R CA 0.366 56.240 56.100 -0.376 0.000 1.071 81 R CB 0.752 30.586 30.300 -0.777 0.000 1.116 81 R HN 0.557 nan 8.270 nan 0.000 0.524 82 G N -0.217 108.671 108.800 0.147 0.000 2.603 82 G HA2 -0.156 3.808 3.960 0.007 0.000 0.686 82 G HA3 -0.156 3.808 3.960 0.007 0.000 0.686 82 G C 0.378 175.509 174.900 0.384 0.000 1.286 82 G CA -0.500 44.761 45.100 0.268 0.000 0.871 82 G HN 0.093 nan 8.290 nan 0.000 0.568 83 A N -0.306 122.758 122.820 0.407 0.000 1.933 83 A HA 0.333 4.657 4.320 0.007 0.000 0.218 83 A C 2.952 180.674 177.584 0.231 0.000 1.175 83 A CA 3.418 55.685 52.037 0.384 0.000 0.628 83 A CB -0.933 18.131 19.000 0.106 0.000 0.814 83 A HN 2.483 nan 8.150 nan 0.000 0.444 84 A N -1.238 121.680 122.820 0.164 0.000 1.902 84 A HA -0.062 4.263 4.320 0.007 0.000 0.217 84 A C 2.032 179.696 177.584 0.134 0.000 1.181 84 A CA 1.637 53.745 52.037 0.119 0.000 0.623 84 A CB -0.683 18.376 19.000 0.097 0.000 0.818 84 A HN 0.701 nan 8.150 nan 0.000 0.443 85 F N 1.390 121.357 119.950 0.029 0.000 2.186 85 F HA -0.127 4.405 4.527 0.009 0.000 0.299 85 F C 1.894 177.698 175.800 0.006 0.000 1.090 85 F CA 1.613 59.607 58.000 -0.010 0.000 1.307 85 F CB -0.403 38.551 39.000 -0.077 0.000 1.019 85 F HN 0.345 nan 8.300 nan 0.000 0.489 86 N N 0.783 119.463 118.700 -0.032 0.000 2.104 86 N HA -0.192 4.553 4.740 0.007 0.000 0.190 86 N C 1.878 177.311 175.510 -0.129 0.000 1.024 86 N CA 1.880 54.865 53.050 -0.108 0.000 0.853 86 N CB -0.527 38.024 38.487 0.107 0.000 1.008 86 N HN 0.327 nan 8.380 nan 0.000 0.424 87 A N 0.060 122.858 122.820 -0.036 0.000 1.898 87 A HA 0.132 4.456 4.320 0.007 0.000 0.216 87 A C 2.335 179.860 177.584 -0.098 0.000 1.181 87 A CA 1.790 53.804 52.037 -0.039 0.000 0.620 87 A CB -1.165 17.840 19.000 0.009 0.000 0.819 87 A HN 0.448 nan 8.150 nan 0.000 0.442 88 A N -0.647 122.092 122.820 -0.135 0.000 1.930 88 A HA 0.011 4.335 4.320 0.007 0.000 0.217 88 A C 2.087 179.535 177.584 -0.226 0.000 1.175 88 A CA 1.648 53.604 52.037 -0.135 0.000 0.627 88 A CB -0.545 18.419 19.000 -0.061 0.000 0.815 88 A HN 0.581 nan 8.150 nan 0.000 0.443 89 L N -0.086 120.863 121.223 -0.456 0.000 2.093 89 L HA -0.088 4.256 4.340 0.007 0.000 0.208 89 L C 2.437 179.173 176.870 -0.222 0.000 1.085 89 L CA 2.674 57.254 54.840 -0.433 0.000 0.755 89 L CB -1.093 40.530 42.059 -0.726 0.000 0.904 89 L HN 0.382 nan 8.230 nan 0.000 0.435 90 T N -1.229 113.213 114.554 -0.186 0.000 2.708 90 T HA -0.173 4.181 4.350 0.007 0.000 0.266 90 T C 1.999 176.652 174.700 -0.078 0.000 1.037 90 T CA 1.675 63.711 62.100 -0.106 0.000 1.146 90 T CB -0.464 68.358 68.868 -0.077 0.000 0.865 90 T HN 0.184 nan 8.240 nan 0.000 0.435 91 V N 1.759 121.629 119.914 -0.074 0.000 2.332 91 V HA -0.217 3.907 4.120 0.007 0.000 0.248 91 V C 2.877 178.945 176.094 -0.045 0.000 1.055 91 V CA 1.783 64.053 62.300 -0.050 0.000 1.038 91 V CB -1.205 30.594 31.823 -0.040 0.000 0.651 91 V HN 0.555 nan 8.190 nan 0.000 0.450 92 A N -0.944 121.843 122.820 -0.056 0.000 1.933 92 A HA -0.227 4.097 4.320 0.007 0.000 0.218 92 A C 2.241 179.807 177.584 -0.030 0.000 1.175 92 A CA 2.159 54.174 52.037 -0.037 0.000 0.628 92 A CB -0.442 18.536 19.000 -0.037 0.000 0.814 92 A HN 0.497 nan 8.150 nan 0.000 0.444 93 M N -1.551 118.024 119.600 -0.041 0.000 2.099 93 M HA -0.132 4.352 4.480 0.007 0.000 0.262 93 M C 2.450 178.736 176.300 -0.024 0.000 1.067 93 M CA 1.798 57.080 55.300 -0.029 0.000 1.124 93 M CB -0.291 32.286 32.600 -0.037 0.000 1.353 93 M HN 0.465 nan 8.290 nan 0.000 0.410 94 R N 0.596 121.078 120.500 -0.030 0.000 2.081 94 R HA -0.170 4.174 4.340 0.007 0.000 0.235 94 R C 1.813 178.101 176.300 -0.020 0.000 1.131 94 R CA 1.745 57.830 56.100 -0.025 0.000 0.960 94 R CB -0.096 30.187 30.300 -0.028 0.000 0.856 94 R HN 0.442 nan 8.270 nan 0.000 0.436 95 E N -0.507 119.682 120.200 -0.019 0.000 2.106 95 E HA -0.149 4.205 4.350 0.007 0.000 0.192 95 E C 1.784 178.377 176.600 -0.011 0.000 0.984 95 E CA 1.047 57.439 56.400 -0.014 0.000 0.806 95 E CB -0.008 29.685 29.700 -0.012 0.000 0.750 95 E HN 0.441 nan 8.360 nan 0.000 0.458 96 A N 0.830 123.644 122.820 -0.011 0.000 2.016 96 A HA -0.094 4.230 4.320 0.007 0.000 0.217 96 A C 2.250 179.829 177.584 -0.009 0.000 1.162 96 A CA 1.688 53.720 52.037 -0.007 0.000 0.662 96 A CB -0.267 18.730 19.000 -0.004 0.000 0.812 96 A HN 0.354 nan 8.150 nan 0.000 0.450 97 T N -6.134 108.413 114.554 -0.011 0.000 2.955 97 T HA 0.408 4.762 4.350 0.007 0.000 0.251 97 T C 1.472 176.164 174.700 -0.014 0.000 1.002 97 T CA 1.137 63.230 62.100 -0.012 0.000 0.970 97 T CB 0.096 68.957 68.868 -0.012 0.000 1.091 97 T HN 1.604 nan 8.240 nan 0.000 0.495 98 G N 1.735 110.526 108.800 -0.015 0.000 2.166 98 G HA2 -0.209 3.755 3.960 0.007 0.000 0.260 98 G HA3 -0.209 3.755 3.960 0.007 0.000 0.260 98 G C -0.089 174.799 174.900 -0.019 0.000 0.986 98 G CA 0.562 45.652 45.100 -0.016 0.000 0.683 98 G HN 0.662 nan 8.290 nan 0.000 0.527 99 L N 0.182 121.393 121.223 -0.020 0.000 2.344 99 L HA 0.495 4.840 4.340 0.007 0.000 0.272 99 L C -1.972 174.882 176.870 -0.028 0.000 1.035 99 L CA -2.561 52.264 54.840 -0.024 0.000 0.807 99 L CB 1.524 43.569 42.059 -0.023 0.000 1.237 99 L HN -0.176 nan 8.230 nan 0.000 0.442 100 P HA 0.069 nan 4.420 nan 0.000 0.267 100 P C -1.073 176.204 177.300 -0.037 0.000 1.209 100 P CA -0.165 62.914 63.100 -0.036 0.000 0.763 100 P CB 0.431 32.105 31.700 -0.043 0.000 0.816 101 C N 2.083 121.361 119.300 -0.037 0.000 2.779 101 C HA 0.862 5.326 4.460 0.007 0.000 0.314 101 C C 0.356 175.322 174.990 -0.040 0.000 1.231 101 C CA -0.043 58.952 59.018 -0.038 0.000 1.652 101 C CB 2.221 29.939 27.740 -0.037 0.000 2.198 101 C HN 0.581 nan 8.230 nan 0.000 0.483 102 T N -0.102 114.428 114.554 -0.041 0.000 2.731 102 T HA 0.810 5.164 4.350 0.007 0.000 0.300 102 T C -0.993 173.684 174.700 -0.038 0.000 1.283 102 T CA -0.010 62.069 62.100 -0.035 0.000 1.005 102 T CB 1.710 70.559 68.868 -0.032 0.000 1.420 102 T HN 1.024 nan 8.240 nan 0.000 0.503 103 T N -0.576 113.964 114.554 -0.023 0.000 2.901 103 T HA 0.464 4.818 4.350 0.007 0.000 0.293 103 T C 1.208 175.909 174.700 0.001 0.000 1.084 103 T CA -0.686 61.395 62.100 -0.031 0.000 1.008 103 T CB 1.454 70.292 68.868 -0.050 0.000 1.170 103 T HN 0.677 nan 8.240 nan 0.000 0.509 104 M N 0.996 120.590 119.600 -0.011 0.000 2.296 104 M HA -0.015 4.470 4.480 0.007 0.000 0.265 104 M C 1.890 178.238 176.300 0.081 0.000 1.064 104 M CA 1.416 56.735 55.300 0.032 0.000 1.109 104 M CB -0.393 32.212 32.600 0.009 0.000 1.396 104 M HN 0.735 nan 8.290 nan 0.000 0.430 105 S N -0.155 115.575 115.700 0.050 0.000 2.368 105 S HA -0.116 4.358 4.470 0.007 0.000 0.224 105 S C 1.701 176.436 174.600 0.225 0.000 1.029 105 S CA 1.814 60.071 58.200 0.095 0.000 0.988 105 S CB -0.319 62.790 63.200 -0.152 0.000 0.838 105 S HN 0.557 nan 8.310 nan 0.000 0.462 106 T N 2.260 116.917 114.554 0.171 0.000 2.788 106 T HA -0.046 4.309 4.350 0.007 0.000 0.268 106 T C 2.087 176.895 174.700 0.181 0.000 1.044 106 T CA 1.189 63.396 62.100 0.178 0.000 1.139 106 T CB -0.428 68.503 68.868 0.105 0.000 0.867 106 T HN 0.447 nan 8.240 nan 0.000 0.454 107 A N 1.434 124.354 122.820 0.167 0.000 1.877 107 A HA -0.077 4.247 4.320 0.007 0.000 0.216 107 A C 2.655 180.393 177.584 0.257 0.000 1.186 107 A CA 1.960 54.134 52.037 0.228 0.000 0.620 107 A CB -1.019 18.100 19.000 0.198 0.000 0.822 107 A HN 0.496 nan 8.150 nan 0.000 0.443 108 V N -2.431 117.605 119.914 0.204 0.000 2.453 108 V HA -0.118 4.006 4.120 0.007 0.000 0.247 108 V C 2.268 178.457 176.094 0.158 0.000 1.048 108 V CA 1.775 64.174 62.300 0.165 0.000 1.049 108 V CB -0.978 30.944 31.823 0.165 0.000 0.672 108 V HN 0.302 nan 8.190 nan 0.000 0.457 109 L N 1.887 123.234 121.223 0.206 0.000 2.042 109 L HA -0.100 4.245 4.340 0.007 0.000 0.210 109 L C 2.378 179.329 176.870 0.135 0.000 1.076 109 L CA 2.200 57.134 54.840 0.157 0.000 0.749 109 L CB -1.170 40.994 42.059 0.174 0.000 0.893 109 L HN 0.353 nan 8.230 nan 0.000 0.432 110 N N -0.183 118.636 118.700 0.199 0.000 2.188 110 N HA -0.100 4.645 4.740 0.007 0.000 0.184 110 N C 1.766 177.443 175.510 0.278 0.000 1.018 110 N CA 1.329 54.540 53.050 0.268 0.000 0.858 110 N CB -0.734 37.960 38.487 0.346 0.000 0.989 110 N HN 0.511 nan 8.380 nan 0.000 0.426 111 G N 0.926 109.814 108.800 0.147 0.000 2.402 111 G HA2 -0.121 3.843 3.960 0.007 0.000 0.216 111 G HA3 -0.121 3.843 3.960 0.007 0.000 0.216 111 G C 1.671 176.463 174.900 -0.179 0.000 1.162 111 G CA 0.282 45.208 45.100 -0.291 0.000 0.777 111 G HN 0.215 nan 8.290 nan 0.000 0.539 112 L N -0.306 120.883 121.223 -0.056 0.000 2.056 112 L HA -0.016 4.328 4.340 0.007 0.000 0.207 112 L C 3.158 180.015 176.870 -0.022 0.000 1.078 112 L CA 0.980 55.796 54.840 -0.039 0.000 0.749 112 L CB -0.323 41.735 42.059 -0.002 0.000 0.901 112 L HN 0.117 nan 8.230 nan 0.000 0.433 113 R N -0.069 120.439 120.500 0.013 0.000 2.073 113 R HA -0.154 4.190 4.340 0.007 0.000 0.234 113 R C 2.440 178.756 176.300 0.028 0.000 1.134 113 R CA 1.420 57.535 56.100 0.026 0.000 0.952 113 R CB -0.582 29.748 30.300 0.050 0.000 0.850 113 R HN 0.358 nan 8.270 nan 0.000 0.433 114 A N 0.833 123.679 122.820 0.044 0.000 1.978 114 A HA -0.123 4.202 4.320 0.007 0.000 0.220 114 A C 1.956 179.529 177.584 -0.018 0.000 1.170 114 A CA 1.253 53.319 52.037 0.050 0.000 0.636 114 A CB -0.357 18.709 19.000 0.110 0.000 0.810 114 A HN 0.217 nan 8.150 nan 0.000 0.448 115 L N -1.272 119.910 121.223 -0.068 0.000 2.592 115 L HA 0.229 4.573 4.340 0.007 0.000 0.227 115 L C 1.565 178.414 176.870 -0.036 0.000 1.127 115 L CA 0.478 55.275 54.840 -0.072 0.000 0.884 115 L CB -0.058 41.932 42.059 -0.115 0.000 1.065 115 L HN 0.555 nan 8.230 nan 0.000 0.457 116 G N 0.332 109.121 108.800 -0.018 0.000 2.160 116 G HA2 -0.249 3.716 3.960 0.007 0.000 0.251 116 G HA3 -0.249 3.716 3.960 0.007 0.000 0.251 116 G C 0.181 175.077 174.900 -0.006 0.000 1.008 116 G CA 0.083 45.179 45.100 -0.006 0.000 0.724 116 G HN 0.114 nan 8.290 nan 0.000 0.514 117 V N 0.815 120.722 119.914 -0.011 0.000 2.427 117 V HA 0.377 4.501 4.120 0.007 0.000 0.268 117 V C 1.513 177.607 176.094 -0.001 0.000 1.046 117 V CA 0.654 62.952 62.300 -0.004 0.000 0.970 117 V CB 1.305 33.122 31.823 -0.009 0.000 1.001 117 V HN 0.474 nan 8.190 nan 0.000 0.476 118 R N 3.937 124.439 120.500 0.003 0.000 2.140 118 R HA 0.257 4.601 4.340 0.007 0.000 0.200 118 R C 0.679 176.979 176.300 0.000 0.000 1.069 118 R CA -0.038 56.060 56.100 -0.002 0.000 1.088 118 R CB 0.433 30.731 30.300 -0.003 0.000 1.012 118 R HN 0.546 nan 8.270 nan 0.000 0.500 119 R N 1.180 121.686 120.500 0.009 0.000 2.202 119 R HA 0.241 4.585 4.340 0.007 0.000 0.334 119 R C -1.085 175.232 176.300 0.028 0.000 1.036 119 R CA -0.144 55.962 56.100 0.011 0.000 0.878 119 R CB 1.982 32.288 30.300 0.009 0.000 1.067 119 R HN -0.060 nan 8.270 nan 0.000 0.457 120 V N 2.952 122.880 119.914 0.024 0.000 2.483 120 V HA 0.604 4.729 4.120 0.007 0.000 0.297 120 V C -0.551 175.569 176.094 0.044 0.000 1.027 120 V CA -0.579 61.745 62.300 0.039 0.000 0.855 120 V CB 1.630 33.468 31.823 0.026 0.000 0.995 120 V HN 0.895 nan 8.190 nan 0.000 0.424 121 A N 7.466 130.331 122.820 0.075 0.000 2.363 121 A HA 0.758 5.082 4.320 0.007 0.000 0.270 121 A C -0.524 177.098 177.584 0.062 0.000 1.121 121 A CA -0.449 51.631 52.037 0.073 0.000 0.800 121 A CB 0.370 19.449 19.000 0.130 0.000 1.052 121 A HN 0.895 nan 8.150 nan 0.000 0.493 122 L N 1.904 123.155 121.223 0.047 0.000 2.282 122 L HA 0.628 4.972 4.340 0.007 0.000 0.288 122 L C 0.328 177.220 176.870 0.037 0.000 1.033 122 L CA -0.369 54.496 54.840 0.043 0.000 0.807 122 L CB 1.629 43.713 42.059 0.043 0.000 1.209 122 L HN 0.753 nan 8.230 nan 0.000 0.423 123 A N 2.371 125.205 122.820 0.024 0.000 2.340 123 A HA 0.731 5.055 4.320 0.007 0.000 0.297 123 A C -0.159 177.398 177.584 -0.045 0.000 1.195 123 A CA -0.412 51.627 52.037 0.003 0.000 0.769 123 A CB 1.247 20.253 19.000 0.011 0.000 1.163 123 A HN 0.705 nan 8.150 nan 0.000 0.472 124 T N -1.588 112.917 114.554 -0.082 0.000 2.887 124 T HA 0.675 5.029 4.350 0.007 0.000 0.292 124 T C 0.555 175.082 174.700 -0.288 0.000 1.087 124 T CA 0.097 62.046 62.100 -0.251 0.000 1.009 124 T CB 1.722 70.425 68.868 -0.275 0.000 1.203 124 T HN 1.269 nan 8.240 nan 0.000 0.518 125 A N 0.175 122.672 122.820 -0.539 0.000 2.251 125 A HA 0.435 4.759 4.320 0.007 0.000 0.209 125 A C -0.219 177.293 177.584 -0.120 0.000 1.187 125 A CA -0.058 51.806 52.037 -0.289 0.000 0.823 125 A CB -0.716 18.152 19.000 -0.220 0.000 0.846 125 A HN 0.695 nan 8.150 nan 0.000 0.486 126 Y N -0.169 120.179 120.300 0.079 0.000 2.519 126 Y HA 0.568 5.121 4.550 0.004 0.000 0.324 126 Y C 0.775 176.716 175.900 0.068 0.000 1.214 126 Y CA -2.242 55.911 58.100 0.087 0.000 1.260 126 Y CB 0.311 38.854 38.460 0.138 0.000 1.311 126 Y HN 0.251 nan 8.280 nan 0.000 0.505 127 I N -1.370 119.352 120.570 0.253 0.000 2.945 127 I HA 0.232 4.406 4.170 0.007 0.000 0.292 127 I C 0.474 176.684 176.117 0.154 0.000 1.093 127 I CA -0.465 60.924 61.300 0.147 0.000 1.336 127 I CB 0.715 38.767 38.000 0.087 0.000 1.435 127 I HN 0.460 nan 8.210 nan 0.000 0.593 128 D N 1.373 121.837 120.400 0.107 0.000 2.219 128 D HA -0.172 4.472 4.640 0.007 0.000 0.205 128 D C 1.475 177.835 176.300 0.101 0.000 0.970 128 D CA 1.417 55.478 54.000 0.102 0.000 0.851 128 D CB -0.204 40.639 40.800 0.072 0.000 0.943 128 D HN 0.771 nan 8.370 nan 0.000 0.488 129 D N 0.360 120.810 120.400 0.085 0.000 2.123 129 D HA -0.132 4.512 4.640 0.007 0.000 0.196 129 D C 2.011 178.384 176.300 0.121 0.000 0.992 129 D CA 0.680 54.730 54.000 0.084 0.000 0.833 129 D CB 0.040 40.875 40.800 0.059 0.000 0.954 129 D HN -0.008 nan 8.370 nan 0.000 0.455 130 V N 0.891 120.882 119.914 0.128 0.000 2.453 130 V HA -0.166 3.958 4.120 0.007 0.000 0.247 130 V C 2.172 178.397 176.094 0.219 0.000 1.048 130 V CA 1.536 63.928 62.300 0.154 0.000 1.049 130 V CB -0.621 31.191 31.823 -0.019 0.000 0.672 130 V HN 0.246 nan 8.190 nan 0.000 0.457 131 N N 0.418 119.253 118.700 0.225 0.000 2.166 131 N HA -0.176 4.569 4.740 0.007 0.000 0.186 131 N C 1.817 177.394 175.510 0.113 0.000 1.019 131 N CA 1.419 54.591 53.050 0.205 0.000 0.856 131 N CB -0.212 38.385 38.487 0.183 0.000 0.993 131 N HN 0.614 nan 8.380 nan 0.000 0.426 132 E N 0.695 120.959 120.200 0.108 0.000 2.077 132 E HA -0.082 4.272 4.350 0.007 0.000 0.193 132 E C 2.057 178.706 176.600 0.083 0.000 0.989 132 E CA 0.781 57.228 56.400 0.080 0.000 0.800 132 E CB -0.016 29.730 29.700 0.076 0.000 0.746 132 E HN 0.326 nan 8.360 nan 0.000 0.452 133 R N 0.312 120.892 120.500 0.133 0.000 2.096 133 R HA -0.127 4.218 4.340 0.007 0.000 0.235 133 R C 2.420 178.744 176.300 0.039 0.000 1.127 133 R CA 0.766 56.972 56.100 0.177 0.000 0.968 133 R CB -0.329 30.169 30.300 0.330 0.000 0.861 133 R HN 0.113 nan 8.270 nan 0.000 0.440 134 L N 0.885 121.985 121.223 -0.205 0.000 2.017 134 L HA -0.102 4.242 4.340 0.007 0.000 0.208 134 L C 2.223 178.974 176.870 -0.199 0.000 1.073 134 L CA 2.063 56.490 54.840 -0.689 0.000 0.745 134 L CB -0.806 40.909 42.059 -0.573 0.000 0.894 134 L HN 0.136 nan 8.230 nan 0.000 0.432 135 A N -0.465 122.315 122.820 -0.067 0.000 1.902 135 A HA -0.107 4.217 4.320 0.007 0.000 0.217 135 A C 2.456 180.041 177.584 0.003 0.000 1.181 135 A CA 1.953 53.980 52.037 -0.017 0.000 0.623 135 A CB -1.214 17.789 19.000 0.006 0.000 0.818 135 A HN 0.609 nan 8.150 nan 0.000 0.443 136 A N -1.039 121.799 122.820 0.031 0.000 1.902 136 A HA -0.041 4.283 4.320 0.007 0.000 0.217 136 A C 2.056 179.681 177.584 0.067 0.000 1.181 136 A CA 1.632 53.698 52.037 0.048 0.000 0.623 136 A CB -0.744 18.300 19.000 0.073 0.000 0.818 136 A HN 0.771 nan 8.150 nan 0.000 0.443 137 F N 0.760 120.680 119.950 -0.050 0.000 2.102 137 F HA -0.161 4.380 4.527 0.024 0.000 0.298 137 F C 1.866 177.642 175.800 -0.041 0.000 1.105 137 F CA 1.872 59.854 58.000 -0.031 0.000 1.239 137 F CB -0.375 38.597 39.000 -0.046 0.000 0.991 137 F HN 0.142 nan 8.300 nan 0.000 0.474 138 L N 0.187 121.327 121.223 -0.138 0.000 2.046 138 L HA -0.207 4.138 4.340 0.007 0.000 0.208 138 L C 2.854 179.608 176.870 -0.192 0.000 1.077 138 L CA 1.220 55.929 54.840 -0.219 0.000 0.747 138 L CB -1.321 40.704 42.059 -0.057 0.000 0.896 138 L HN 0.295 nan 8.230 nan 0.000 0.432 139 A N -0.139 122.614 122.820 -0.113 0.000 1.902 139 A HA -0.223 4.102 4.320 0.007 0.000 0.217 139 A C 2.167 179.688 177.584 -0.105 0.000 1.181 139 A CA 1.629 53.616 52.037 -0.083 0.000 0.623 139 A CB -0.456 18.518 19.000 -0.043 0.000 0.818 139 A HN 0.453 nan 8.150 nan 0.000 0.443 140 E N -0.244 119.879 120.200 -0.129 0.000 2.160 140 E HA -0.149 4.205 4.350 0.007 0.000 0.195 140 E C 0.784 177.280 176.600 -0.173 0.000 0.991 140 E CA 0.994 57.319 56.400 -0.125 0.000 0.810 140 E CB -0.026 29.610 29.700 -0.107 0.000 0.742 140 E HN 0.538 nan 8.360 nan 0.000 0.466 141 E N -0.007 120.027 120.200 -0.277 0.000 2.394 141 E HA 0.091 4.445 4.350 0.007 0.000 0.191 141 E C -0.107 176.398 176.600 -0.157 0.000 1.044 141 E CA -0.070 56.174 56.400 -0.261 0.000 0.939 141 E CB 0.741 30.173 29.700 -0.447 0.000 1.089 141 E HN 0.031 nan 8.360 nan 0.000 0.456 142 S N -0.465 115.164 115.700 -0.117 0.000 3.361 142 S HA -0.179 4.295 4.470 0.007 0.000 0.288 142 S C 0.415 174.977 174.600 -0.063 0.000 1.269 142 S CA 0.502 58.657 58.200 -0.073 0.000 0.976 142 S CB -1.762 61.405 63.200 -0.056 0.000 1.162 142 S HN 0.289 nan 8.310 nan 0.000 0.643 143 L N 0.635 121.811 121.223 -0.078 0.000 2.358 143 L HA 0.712 5.056 4.340 0.007 0.000 0.268 143 L C 0.244 177.089 176.870 -0.042 0.000 1.032 143 L CA -1.005 53.803 54.840 -0.053 0.000 0.805 143 L CB 1.278 43.304 42.059 -0.055 0.000 1.253 143 L HN 0.036 nan 8.230 nan 0.000 0.452 144 V N 1.721 121.620 119.914 -0.026 0.000 2.325 144 V HA 0.283 4.408 4.120 0.007 0.000 0.280 144 V C -2.344 173.743 176.094 -0.011 0.000 1.016 144 V CA -1.612 60.676 62.300 -0.019 0.000 0.818 144 V CB 1.168 32.982 31.823 -0.015 0.000 1.019 144 V HN 0.551 nan 8.190 nan 0.000 0.434 145 P HA 0.216 nan 4.420 nan 0.000 0.271 145 P C 0.882 178.180 177.300 -0.003 0.000 1.216 145 P CA 0.057 63.156 63.100 -0.002 0.000 0.771 145 P CB 0.826 32.525 31.700 -0.002 0.000 0.864 146 T N -0.279 114.274 114.554 -0.002 0.000 2.990 146 T HA 0.499 4.854 4.350 0.007 0.000 0.250 146 T C 0.687 175.377 174.700 -0.016 0.000 1.041 146 T CA 0.212 62.303 62.100 -0.014 0.000 1.010 146 T CB -0.074 68.779 68.868 -0.025 0.000 1.003 146 T HN 0.570 nan 8.240 nan 0.000 0.499 147 G N -0.631 108.167 108.800 -0.003 0.000 2.313 147 G HA2 0.437 4.401 3.960 0.007 0.000 0.296 147 G HA3 0.437 4.401 3.960 0.007 0.000 0.296 147 G C -1.988 172.921 174.900 0.015 0.000 1.356 147 G CA -0.204 44.895 45.100 -0.001 0.000 0.833 147 G HN 0.631 nan 8.290 nan 0.000 0.552 148 C N 0.282 119.593 119.300 0.019 0.000 2.931 148 C HA 0.862 5.326 4.460 0.007 0.000 0.370 148 C C -1.149 173.858 174.990 0.029 0.000 1.071 148 C CA -0.849 58.187 59.018 0.030 0.000 1.266 148 C CB 1.223 28.987 27.740 0.040 0.000 1.691 148 C HN 0.918 nan 8.230 nan 0.000 0.511 149 R N 3.144 123.661 120.500 0.029 0.000 2.686 149 R HA 0.832 5.177 4.340 0.007 0.000 0.286 149 R C -0.638 175.673 176.300 0.020 0.000 0.969 149 R CA -0.209 55.906 56.100 0.025 0.000 0.898 149 R CB 2.074 32.388 30.300 0.023 0.000 1.183 149 R HN 1.037 nan 8.270 nan 0.000 0.456 150 S N 0.317 116.030 115.700 0.020 0.000 2.607 150 S HA 0.453 4.928 4.470 0.007 0.000 0.273 150 S C 0.398 175.005 174.600 0.011 0.000 1.148 150 S CA -0.899 57.308 58.200 0.012 0.000 0.833 150 S CB 1.293 64.521 63.200 0.046 0.000 1.130 150 S HN 0.476 nan 8.310 nan 0.000 0.470 151 L N 0.920 122.142 121.223 -0.002 0.000 2.477 151 L HA 0.372 4.717 4.340 0.007 0.000 0.220 151 L C 1.729 178.614 176.870 0.025 0.000 1.106 151 L CA 0.422 55.265 54.840 0.005 0.000 0.851 151 L CB -0.702 41.349 42.059 -0.012 0.000 0.994 151 L HN 1.227 nan 8.230 nan 0.000 0.462 152 G N 1.780 110.610 108.800 0.050 0.000 2.246 152 G HA2 -0.285 3.679 3.960 0.007 0.000 0.273 152 G HA3 -0.285 3.679 3.960 0.007 0.000 0.273 152 G C 0.018 174.955 174.900 0.061 0.000 1.055 152 G CA 0.011 45.150 45.100 0.066 0.000 0.851 152 G HN 0.300 nan 8.290 nan 0.000 0.500 153 I N 0.610 121.221 120.570 0.070 0.000 2.353 153 I HA 0.384 4.558 4.170 0.007 0.000 0.293 153 I C 1.626 177.791 176.117 0.081 0.000 0.992 153 I CA 0.068 61.403 61.300 0.058 0.000 1.268 153 I CB 1.675 39.701 38.000 0.043 0.000 1.387 153 I HN 0.238 nan 8.210 nan 0.000 0.478 154 T N 0.622 115.203 114.554 0.046 0.000 3.023 154 T HA 0.172 4.526 4.350 0.007 0.000 0.253 154 T C 0.873 175.582 174.700 0.015 0.000 1.038 154 T CA -0.234 61.883 62.100 0.028 0.000 0.962 154 T CB 0.130 68.992 68.868 -0.010 0.000 1.018 154 T HN 0.624 nan 8.240 nan 0.000 0.521 155 G N 0.906 109.718 108.800 0.020 0.000 2.442 155 G HA2 0.434 4.398 3.960 0.007 0.000 0.249 155 G HA3 0.434 4.398 3.960 0.007 0.000 0.249 155 G C 0.755 175.670 174.900 0.026 0.000 1.263 155 G CA -0.414 44.694 45.100 0.013 0.000 0.846 155 G HN 0.150 nan 8.290 nan 0.000 0.555 156 V N 2.304 122.229 119.914 0.017 0.000 2.283 156 V HA -0.046 4.078 4.120 0.007 0.000 0.239 156 V C 2.602 178.709 176.094 0.022 0.000 1.035 156 V CA 1.742 64.057 62.300 0.025 0.000 1.018 156 V CB -0.616 31.215 31.823 0.012 0.000 0.658 156 V HN 0.680 nan 8.190 nan 0.000 0.459 157 E N 0.861 121.069 120.200 0.013 0.000 2.204 157 E HA -0.088 4.266 4.350 0.007 0.000 0.194 157 E C 2.126 178.734 176.600 0.013 0.000 0.989 157 E CA 1.178 57.585 56.400 0.012 0.000 0.824 157 E CB -0.581 29.124 29.700 0.008 0.000 0.756 157 E HN 0.550 nan 8.360 nan 0.000 0.477 158 A N 0.751 123.579 122.820 0.013 0.000 2.024 158 A HA -0.225 4.099 4.320 0.007 0.000 0.220 158 A C 1.921 179.513 177.584 0.014 0.000 1.164 158 A CA 1.316 53.361 52.037 0.012 0.000 0.643 158 A CB -0.399 18.609 19.000 0.013 0.000 0.806 158 A HN 0.144 nan 8.150 nan 0.000 0.451 159 M N -0.495 119.117 119.600 0.020 0.000 2.202 159 M HA -0.140 4.344 4.480 0.007 0.000 0.262 159 M C 2.361 178.668 176.300 0.011 0.000 1.063 159 M CA 1.495 56.806 55.300 0.018 0.000 1.097 159 M CB -1.506 31.112 32.600 0.030 0.000 1.382 159 M HN 0.494 nan 8.290 nan 0.000 0.413 160 A N -0.126 122.701 122.820 0.012 0.000 2.121 160 A HA -0.106 4.218 4.320 0.007 0.000 0.218 160 A C 2.206 179.792 177.584 0.004 0.000 1.154 160 A CA 1.052 53.093 52.037 0.008 0.000 0.679 160 A CB -0.497 18.508 19.000 0.008 0.000 0.795 160 A HN 0.512 nan 8.150 nan 0.000 0.458 161 R N -0.799 119.704 120.500 0.004 0.000 2.312 161 R HA 0.162 4.506 4.340 0.007 0.000 0.205 161 R C -0.250 176.051 176.300 0.001 0.000 0.904 161 R CA -0.120 55.982 56.100 0.003 0.000 1.052 161 R CB 0.172 30.474 30.300 0.003 0.000 1.014 161 R HN 0.287 nan 8.270 nan 0.000 0.503 162 V N 3.929 123.843 119.914 0.001 0.000 2.540 162 V HA -0.080 4.044 4.120 0.007 0.000 0.297 162 V C 0.196 176.289 176.094 -0.002 0.000 1.024 162 V CA -0.115 62.184 62.300 -0.002 0.000 1.105 162 V CB 0.108 31.928 31.823 -0.005 0.000 0.938 162 V HN 0.294 nan 8.190 nan 0.000 0.482 163 D N 3.154 123.553 120.400 -0.002 0.000 2.383 163 D HA 0.163 4.808 4.640 0.007 0.000 0.248 163 D C 1.106 177.405 176.300 -0.002 0.000 1.170 163 D CA -0.364 53.635 54.000 -0.002 0.000 0.977 163 D CB 0.655 41.454 40.800 -0.001 0.000 1.120 163 D HN 0.342 nan 8.370 nan 0.000 0.481 164 T N -0.024 114.529 114.554 -0.001 0.000 2.746 164 T HA -0.113 4.242 4.350 0.007 0.000 0.267 164 T C 1.884 176.583 174.700 -0.001 0.000 1.039 164 T CA 1.821 63.921 62.100 -0.000 0.000 1.142 164 T CB -0.534 68.335 68.868 0.000 0.000 0.866 164 T HN 0.593 nan 8.240 nan 0.000 0.444 165 A N 1.159 123.979 122.820 -0.001 0.000 1.933 165 A HA -0.117 4.208 4.320 0.007 0.000 0.218 165 A C 2.548 180.131 177.584 -0.000 0.000 1.175 165 A CA 2.015 54.051 52.037 -0.001 0.000 0.628 165 A CB -1.208 17.792 19.000 -0.001 0.000 0.814 165 A HN 0.463 nan 8.150 nan 0.000 0.444 166 T N 0.509 115.062 114.554 -0.001 0.000 2.746 166 T HA -0.101 4.254 4.350 0.007 0.000 0.267 166 T C 1.784 176.483 174.700 -0.002 0.000 1.039 166 T CA 1.553 63.653 62.100 -0.001 0.000 1.142 166 T CB -0.368 68.499 68.868 -0.002 0.000 0.866 166 T HN 0.388 nan 8.240 nan 0.000 0.444 167 L N 0.490 121.711 121.223 -0.003 0.000 2.056 167 L HA -0.048 4.296 4.340 0.007 0.000 0.207 167 L C 2.663 179.532 176.870 -0.002 0.000 1.078 167 L CA 0.728 55.565 54.840 -0.005 0.000 0.749 167 L CB -0.650 41.407 42.059 -0.004 0.000 0.901 167 L HN 0.131 nan 8.230 nan 0.000 0.433 168 V N 0.276 120.189 119.914 -0.001 0.000 2.295 168 V HA -0.343 3.781 4.120 0.007 0.000 0.246 168 V C 2.208 178.305 176.094 0.004 0.000 1.049 168 V CA 2.296 64.595 62.300 -0.002 0.000 1.024 168 V CB -0.503 31.317 31.823 -0.004 0.000 0.648 168 V HN 0.518 nan 8.190 nan 0.000 0.447 169 D N -0.378 120.025 120.400 0.006 0.000 2.117 169 D HA -0.204 4.440 4.640 0.007 0.000 0.197 169 D C 1.987 178.297 176.300 0.017 0.000 0.987 169 D CA 1.305 55.312 54.000 0.012 0.000 0.829 169 D CB -0.122 40.684 40.800 0.009 0.000 0.961 169 D HN 0.286 nan 8.370 nan 0.000 0.460 170 L N 0.043 121.273 121.223 0.011 0.000 2.012 170 L HA -0.152 4.192 4.340 0.007 0.000 0.210 170 L C 2.244 179.129 176.870 0.025 0.000 1.073 170 L CA 1.660 56.508 54.840 0.013 0.000 0.748 170 L CB -0.669 41.390 42.059 -0.001 0.000 0.891 170 L HN 0.266 nan 8.230 nan 0.000 0.431 171 C N -1.819 117.494 119.300 0.022 0.000 2.429 171 C HA -0.129 4.335 4.460 0.007 0.000 0.277 171 C C 2.720 177.751 174.990 0.069 0.000 1.262 171 C CA 0.866 59.904 59.018 0.035 0.000 1.733 171 C CB -0.860 26.885 27.740 0.008 0.000 2.010 171 C HN 0.499 nan 8.230 nan 0.000 0.483 172 V N 0.895 120.841 119.914 0.054 0.000 2.295 172 V HA -0.231 3.894 4.120 0.007 0.000 0.246 172 V C 2.606 178.768 176.094 0.113 0.000 1.049 172 V CA 1.895 64.246 62.300 0.085 0.000 1.024 172 V CB -0.662 31.192 31.823 0.050 0.000 0.648 172 V HN 0.502 nan 8.190 nan 0.000 0.447 173 R N 0.016 120.559 120.500 0.071 0.000 2.081 173 R HA -0.135 4.210 4.340 0.007 0.000 0.235 173 R C 2.444 178.781 176.300 0.060 0.000 1.131 173 R CA 1.456 57.590 56.100 0.056 0.000 0.960 173 R CB -0.628 29.692 30.300 0.034 0.000 0.856 173 R HN 0.547 nan 8.270 nan 0.000 0.436 174 A N 0.806 123.670 122.820 0.073 0.000 1.883 174 A HA -0.205 4.119 4.320 0.007 0.000 0.217 174 A C 1.959 179.602 177.584 0.099 0.000 1.186 174 A CA 1.237 53.318 52.037 0.073 0.000 0.624 174 A CB -0.602 18.443 19.000 0.076 0.000 0.822 174 A HN 0.355 nan 8.150 nan 0.000 0.444 175 F N 0.556 120.504 119.950 -0.003 0.000 2.163 175 F HA -0.064 4.466 4.527 0.004 0.000 0.297 175 F C 2.170 177.969 175.800 -0.003 0.000 1.094 175 F CA 1.792 59.790 58.000 -0.004 0.000 1.290 175 F CB -0.268 38.729 39.000 -0.005 0.000 1.017 175 F HN 0.437 nan 8.300 nan 0.000 0.483 176 E N 0.263 120.502 120.200 0.064 0.000 2.130 176 E HA -0.280 4.074 4.350 0.007 0.000 0.196 176 E C 2.150 178.686 176.600 -0.106 0.000 0.998 176 E CA 1.236 57.621 56.400 -0.025 0.000 0.806 176 E CB -0.315 29.407 29.700 0.037 0.000 0.738 176 E HN 0.459 nan 8.360 nan 0.000 0.459 177 A N 0.234 123.005 122.820 -0.081 0.000 2.067 177 A HA 0.177 4.501 4.320 0.007 0.000 0.219 177 A C 1.312 178.817 177.584 -0.132 0.000 1.158 177 A CA 1.205 53.194 52.037 -0.080 0.000 0.661 177 A CB 0.019 18.995 19.000 -0.040 0.000 0.801 177 A HN 0.296 nan 8.150 nan 0.000 0.452 178 A N -0.614 122.068 122.820 -0.231 0.000 3.156 178 A HA 0.569 4.893 4.320 0.007 0.000 0.311 178 A C -2.208 175.042 177.584 -0.555 0.000 1.129 178 A CA -0.639 51.234 52.037 -0.272 0.000 0.809 178 A CB 0.553 19.459 19.000 -0.157 0.000 1.257 178 A HN 0.108 nan 8.150 nan 0.000 0.491 179 P HA -0.016 nan 4.420 nan 0.000 0.245 179 P C 0.163 177.165 177.300 -0.496 0.000 1.212 179 P CA 0.711 63.185 63.100 -1.043 0.000 0.774 179 P CB 0.163 31.546 31.700 -0.529 0.000 0.999 180 D N -1.515 118.717 120.400 -0.279 0.000 2.340 180 D HA 0.007 4.651 4.640 0.007 0.000 0.220 180 D C 0.201 176.481 176.300 -0.033 0.000 1.039 180 D CA 0.027 53.967 54.000 -0.100 0.000 0.866 180 D CB -0.410 40.346 40.800 -0.073 0.000 0.913 180 D HN -0.054 nan 8.370 nan 0.000 0.523 181 S N 1.043 116.709 115.700 -0.057 0.000 2.579 181 S HA 0.013 4.488 4.470 0.007 0.000 0.275 181 S C 0.756 175.477 174.600 0.203 0.000 1.345 181 S CA -0.389 57.864 58.200 0.087 0.000 1.031 181 S CB 1.361 64.641 63.200 0.134 0.000 0.892 181 S HN 0.123 nan 8.310 nan 0.000 0.529 182 D N 0.812 121.286 120.400 0.123 0.000 2.289 182 D HA 0.209 4.853 4.640 0.007 0.000 0.207 182 D C 0.956 177.303 176.300 0.079 0.000 0.966 182 D CA 0.652 54.708 54.000 0.092 0.000 0.868 182 D CB 0.217 41.043 40.800 0.043 0.000 0.943 182 D HN 0.650 nan 8.370 nan 0.000 0.514 183 G N -0.441 108.418 108.800 0.099 0.000 2.488 183 G HA2 0.537 4.501 3.960 0.007 0.000 0.301 183 G HA3 0.537 4.501 3.960 0.007 0.000 0.301 183 G C -1.774 173.172 174.900 0.077 0.000 1.339 183 G CA -0.780 44.346 45.100 0.043 0.000 0.803 183 G HN 0.002 nan 8.290 nan 0.000 0.482 184 I N 0.226 120.814 120.570 0.030 0.000 2.498 184 I HA 0.397 4.571 4.170 0.007 0.000 0.290 184 I C -0.976 175.155 176.117 0.024 0.000 1.032 184 I CA -0.821 60.508 61.300 0.048 0.000 1.073 184 I CB 2.239 40.258 38.000 0.033 0.000 1.251 184 I HN 0.381 nan 8.210 nan 0.000 0.426 185 L N 7.594 128.839 121.223 0.035 0.000 2.255 185 L HA 0.456 4.800 4.340 0.007 0.000 0.289 185 L C -0.960 175.930 176.870 0.033 0.000 1.046 185 L CA -0.342 54.520 54.840 0.036 0.000 0.816 185 L CB 1.062 43.151 42.059 0.050 0.000 1.197 185 L HN 0.510 nan 8.230 nan 0.000 0.427 186 L N 4.967 126.206 121.223 0.026 0.000 2.270 186 L HA 0.480 4.824 4.340 0.007 0.000 0.286 186 L C -0.175 176.704 176.870 0.015 0.000 1.059 186 L CA 0.516 55.361 54.840 0.009 0.000 0.839 186 L CB 0.688 42.752 42.059 0.008 0.000 1.221 186 L HN 0.703 nan 8.230 nan 0.000 0.431 187 S N 4.458 120.150 115.700 -0.013 0.000 2.442 187 S HA 0.750 5.224 4.470 0.007 0.000 0.297 187 S C -0.937 173.581 174.600 -0.137 0.000 1.131 187 S CA -0.310 57.910 58.200 0.033 0.000 1.092 187 S CB 0.329 63.643 63.200 0.189 0.000 0.998 187 S HN 0.986 nan 8.310 nan 0.000 0.478 188 C N 3.947 123.265 119.300 0.032 0.000 3.119 188 C HA 0.234 4.698 4.460 0.007 0.000 0.382 188 C C 1.029 176.064 174.990 0.075 0.000 0.943 188 C CA -0.273 58.783 59.018 0.062 0.000 1.343 188 C CB -1.042 26.630 27.740 -0.112 0.000 1.736 188 C HN 1.077 nan 8.230 nan 0.000 0.501 189 G N 2.874 111.736 108.800 0.103 0.000 2.848 189 G HA2 0.318 4.282 3.960 0.007 0.000 0.208 189 G HA3 0.318 4.282 3.960 0.007 0.000 0.208 189 G C 1.302 176.240 174.900 0.063 0.000 1.152 189 G CA 1.049 46.197 45.100 0.079 0.000 0.789 189 G HN 1.697 nan 8.290 nan 0.000 0.531 190 G N 0.065 108.899 108.800 0.057 0.000 2.838 190 G HA2 0.274 4.238 3.960 0.007 0.000 0.210 190 G HA3 0.274 4.238 3.960 0.007 0.000 0.210 190 G C 0.664 175.582 174.900 0.029 0.000 1.153 190 G CA -0.405 44.720 45.100 0.042 0.000 0.778 190 G HN 0.356 nan 8.290 nan 0.000 0.539 191 L N 0.850 122.088 121.223 0.024 0.000 2.417 191 L HA 0.349 4.693 4.340 0.007 0.000 0.268 191 L C 0.026 176.904 176.870 0.014 0.000 1.158 191 L CA -0.438 54.408 54.840 0.010 0.000 0.819 191 L CB 1.384 43.441 42.059 -0.003 0.000 1.112 191 L HN -0.067 nan 8.230 nan 0.000 0.458 192 L N 2.525 123.751 121.223 0.004 0.000 2.287 192 L HA 0.202 4.547 4.340 0.007 0.000 0.280 192 L C 0.877 177.746 176.870 -0.001 0.000 1.055 192 L CA -0.137 54.700 54.840 -0.003 0.000 0.863 192 L CB 0.836 42.889 42.059 -0.010 0.000 1.245 192 L HN 0.773 nan 8.230 nan 0.000 0.432 193 T N -1.543 113.014 114.554 0.005 0.000 3.054 193 T HA 0.185 4.540 4.350 0.007 0.000 0.255 193 T C 1.429 176.146 174.700 0.029 0.000 1.035 193 T CA -0.144 61.966 62.100 0.017 0.000 0.941 193 T CB 0.207 69.092 68.868 0.028 0.000 1.026 193 T HN 0.380 nan 8.240 nan 0.000 0.533 194 L N 0.888 122.122 121.223 0.018 0.000 2.201 194 L HA 0.036 4.380 4.340 0.007 0.000 0.212 194 L C 1.974 178.919 176.870 0.126 0.000 1.105 194 L CA 1.129 56.010 54.840 0.070 0.000 0.775 194 L CB -0.311 41.729 42.059 -0.033 0.000 0.913 194 L HN 0.215 nan 8.230 nan 0.000 0.440 195 D N -0.176 120.264 120.400 0.065 0.000 2.249 195 D HA -0.019 4.625 4.640 0.007 0.000 0.205 195 D C 2.173 178.486 176.300 0.022 0.000 0.962 195 D CA 1.051 55.076 54.000 0.041 0.000 0.860 195 D CB 0.220 41.033 40.800 0.021 0.000 0.955 195 D HN 0.233 nan 8.370 nan 0.000 0.505 196 A N 0.678 123.511 122.820 0.022 0.000 1.897 196 A HA -0.067 4.258 4.320 0.007 0.000 0.215 196 A C 2.265 179.855 177.584 0.009 0.000 1.181 196 A CA 0.573 52.616 52.037 0.010 0.000 0.620 196 A CB -0.589 18.416 19.000 0.008 0.000 0.821 196 A HN 0.134 nan 8.150 nan 0.000 0.443 197 I N 0.624 121.212 120.570 0.029 0.000 2.091 197 I HA -0.212 3.963 4.170 0.007 0.000 0.239 197 I C -0.352 175.768 176.117 0.006 0.000 1.061 197 I CA 1.955 63.272 61.300 0.029 0.000 1.317 197 I CB -1.144 36.901 38.000 0.075 0.000 1.031 197 I HN 0.269 nan 8.210 nan 0.000 0.401 198 P HA -0.190 nan 4.420 nan 0.000 0.218 198 P C 1.331 178.610 177.300 -0.036 0.000 1.149 198 P CA 1.597 64.681 63.100 -0.026 0.000 0.817 198 P CB 0.000 31.669 31.700 -0.052 0.000 0.785 199 E N 0.512 120.694 120.200 -0.029 0.000 2.072 199 E HA -0.104 4.250 4.350 0.007 0.000 0.191 199 E C 1.945 178.520 176.600 -0.041 0.000 0.985 199 E CA 1.047 57.428 56.400 -0.032 0.000 0.801 199 E CB -1.265 28.422 29.700 -0.023 0.000 0.750 199 E HN -0.064 nan 8.360 nan 0.000 0.452 200 V N 1.148 121.037 119.914 -0.042 0.000 2.295 200 V HA -0.228 3.896 4.120 0.007 0.000 0.246 200 V C 2.178 178.212 176.094 -0.100 0.000 1.049 200 V CA 2.261 64.522 62.300 -0.065 0.000 1.024 200 V CB -0.541 31.248 31.823 -0.057 0.000 0.648 200 V HN 0.320 nan 8.190 nan 0.000 0.447 201 E N -0.214 119.935 120.200 -0.086 0.000 2.106 201 E HA -0.232 4.123 4.350 0.007 0.000 0.192 201 E C 2.421 178.966 176.600 -0.091 0.000 0.984 201 E CA 1.030 57.370 56.400 -0.100 0.000 0.806 201 E CB -0.196 29.462 29.700 -0.071 0.000 0.750 201 E HN 0.449 nan 8.360 nan 0.000 0.458 202 R N 1.393 121.852 120.500 -0.069 0.000 2.070 202 R HA -0.163 4.181 4.340 0.007 0.000 0.233 202 R C 2.419 178.682 176.300 -0.061 0.000 1.137 202 R CA 1.653 57.719 56.100 -0.058 0.000 0.945 202 R CB -0.134 30.138 30.300 -0.046 0.000 0.845 202 R HN 0.001 nan 8.270 nan 0.000 0.430 203 R N 0.234 120.696 120.500 -0.063 0.000 2.081 203 R HA -0.070 4.274 4.340 0.007 0.000 0.235 203 R C 2.173 178.427 176.300 -0.077 0.000 1.131 203 R CA 1.565 57.632 56.100 -0.055 0.000 0.960 203 R CB -0.090 30.185 30.300 -0.042 0.000 0.856 203 R HN 0.306 nan 8.270 nan 0.000 0.436 204 L N -1.574 119.561 121.223 -0.146 0.000 2.408 204 L HA 0.283 4.627 4.340 0.007 0.000 0.215 204 L C 1.339 178.061 176.870 -0.245 0.000 1.081 204 L CA 0.498 55.185 54.840 -0.254 0.000 0.840 204 L CB 0.259 41.998 42.059 -0.534 0.000 1.002 204 L HN 0.587 nan 8.230 nan 0.000 0.468 205 G N 1.229 109.920 108.800 -0.182 0.000 2.148 205 G HA2 -0.240 3.724 3.960 0.007 0.000 0.254 205 G HA3 -0.240 3.724 3.960 0.007 0.000 0.254 205 G C 0.178 174.988 174.900 -0.149 0.000 0.981 205 G CA 0.294 45.317 45.100 -0.129 0.000 0.670 205 G HN 0.303 nan 8.290 nan 0.000 0.528 206 V N -3.195 116.574 119.914 -0.241 0.000 3.001 206 V HA 0.977 5.101 4.120 0.007 0.000 0.314 206 V C -2.342 173.653 176.094 -0.166 0.000 1.099 206 V CA -2.434 59.747 62.300 -0.199 0.000 0.989 206 V CB 2.387 34.048 31.823 -0.269 0.000 1.040 206 V HN 0.104 nan 8.190 nan 0.000 0.434 207 P HA 0.422 nan 4.420 nan 0.000 0.281 207 P C -0.882 176.365 177.300 -0.088 0.000 1.249 207 P CA -0.331 62.712 63.100 -0.095 0.000 0.810 207 P CB 1.633 33.278 31.700 -0.091 0.000 1.008 208 V N 2.444 122.313 119.914 -0.074 0.000 2.417 208 V HA 0.238 4.363 4.120 0.007 0.000 0.291 208 V C 0.230 176.290 176.094 -0.057 0.000 1.024 208 V CA -0.719 61.551 62.300 -0.050 0.000 0.861 208 V CB 1.971 33.776 31.823 -0.031 0.000 0.985 208 V HN 0.246 nan 8.190 nan 0.000 0.436 209 V N 4.023 123.908 119.914 -0.048 0.000 2.347 209 V HA 0.471 4.595 4.120 0.007 0.000 0.280 209 V C 0.227 176.323 176.094 0.003 0.000 1.021 209 V CA -0.069 62.196 62.300 -0.058 0.000 0.847 209 V CB 1.673 33.454 31.823 -0.070 0.000 0.990 209 V HN 0.873 nan 8.190 nan 0.000 0.444 210 S N 3.126 118.843 115.700 0.029 0.000 2.472 210 S HA 0.364 4.838 4.470 0.007 0.000 0.303 210 S C 1.293 175.953 174.600 0.101 0.000 1.099 210 S CA -0.330 57.909 58.200 0.064 0.000 1.077 210 S CB 1.819 65.063 63.200 0.072 0.000 1.031 210 S HN 0.748 nan 8.310 nan 0.000 0.487 211 S N 3.230 118.993 115.700 0.106 0.000 2.380 211 S HA -0.160 4.314 4.470 0.007 0.000 0.229 211 S C 2.089 176.778 174.600 0.148 0.000 1.050 211 S CA 2.191 60.468 58.200 0.129 0.000 1.100 211 S CB -0.703 62.573 63.200 0.127 0.000 0.984 211 S HN 0.782 nan 8.310 nan 0.000 0.434 212 S N 1.240 117.033 115.700 0.155 0.000 2.345 212 S HA 0.009 4.483 4.470 0.007 0.000 0.220 212 S C -0.919 173.905 174.600 0.373 0.000 1.031 212 S CA 1.027 59.359 58.200 0.220 0.000 0.996 212 S CB -1.132 62.187 63.200 0.197 0.000 0.882 212 S HN 0.275 nan 8.310 nan 0.000 0.445 213 P HA 0.014 nan 4.420 nan 0.000 0.215 213 P C 1.378 179.009 177.300 0.551 0.000 1.153 213 P CA 1.535 64.914 63.100 0.464 0.000 0.853 213 P CB -0.219 31.712 31.700 0.385 0.000 0.788 214 A N -0.141 122.869 122.820 0.317 0.000 1.933 214 A HA -0.079 4.245 4.320 0.007 0.000 0.218 214 A C 2.493 180.309 177.584 0.387 0.000 1.175 214 A CA 1.998 54.208 52.037 0.287 0.000 0.628 214 A CB -1.909 17.182 19.000 0.150 0.000 0.814 214 A HN 0.272 nan 8.150 nan 0.000 0.444 215 G N -1.029 107.930 108.800 0.266 0.000 2.440 215 G HA2 -0.211 3.754 3.960 0.007 0.000 0.218 215 G HA3 -0.211 3.754 3.960 0.007 0.000 0.218 215 G C 1.370 176.319 174.900 0.082 0.000 1.154 215 G CA 1.185 46.354 45.100 0.115 0.000 0.767 215 G HN 0.439 nan 8.290 nan 0.000 0.552 216 F N -0.802 119.300 119.950 0.254 0.000 2.113 216 F HA 0.052 4.584 4.527 0.007 0.000 0.297 216 F C 2.407 178.456 175.800 0.415 0.000 1.103 216 F CA 1.210 59.393 58.000 0.305 0.000 1.248 216 F CB -0.558 38.655 39.000 0.354 0.000 0.999 216 F HN 0.302 nan 8.300 nan 0.000 0.475 217 W N 1.644 123.278 121.300 0.556 0.000 2.318 217 W HA -0.292 4.357 4.660 -0.019 0.000 0.313 217 W C 2.212 178.837 176.519 0.177 0.000 1.221 217 W CA 2.269 59.858 57.345 0.406 0.000 1.266 217 W CB -0.686 28.837 29.460 0.105 0.000 1.150 217 W HN 0.170 nan 8.180 nan 0.000 0.496 218 D N -0.236 120.239 120.400 0.125 0.000 2.117 218 D HA -0.180 4.464 4.640 0.007 0.000 0.198 218 D C 2.258 178.461 176.300 -0.162 0.000 0.982 218 D CA 2.320 56.208 54.000 -0.186 0.000 0.828 218 D CB -0.524 40.326 40.800 0.082 0.000 0.967 218 D HN 0.131 nan 8.370 nan 0.000 0.464 219 A N -0.150 122.642 122.820 -0.047 0.000 1.933 219 A HA -0.084 4.240 4.320 0.007 0.000 0.218 219 A C 2.451 179.986 177.584 -0.082 0.000 1.175 219 A CA 1.445 53.450 52.037 -0.053 0.000 0.628 219 A CB -0.760 18.227 19.000 -0.023 0.000 0.814 219 A HN 0.233 nan 8.150 nan 0.000 0.444 220 V N -0.115 119.742 119.914 -0.095 0.000 2.427 220 V HA -0.231 3.894 4.120 0.007 0.000 0.248 220 V C 2.600 178.572 176.094 -0.204 0.000 1.051 220 V CA 2.041 64.227 62.300 -0.189 0.000 1.048 220 V CB -0.795 30.803 31.823 -0.374 0.000 0.666 220 V HN 0.511 nan 8.190 nan 0.000 0.456 221 R N -0.516 119.814 120.500 -0.284 0.000 2.083 221 R HA -0.183 4.161 4.340 0.007 0.000 0.237 221 R C 2.268 178.445 176.300 -0.204 0.000 1.137 221 R CA 1.698 57.613 56.100 -0.307 0.000 0.951 221 R CB -0.589 29.393 30.300 -0.529 0.000 0.851 221 R HN 0.372 nan 8.270 nan 0.000 0.434 222 L N 0.603 121.717 121.223 -0.182 0.000 2.083 222 L HA -0.094 4.250 4.340 0.007 0.000 0.209 222 L C 2.132 178.940 176.870 -0.103 0.000 1.083 222 L CA 1.855 56.620 54.840 -0.126 0.000 0.752 222 L CB -0.428 41.569 42.059 -0.103 0.000 0.899 222 L HN 0.128 nan 8.230 nan 0.000 0.433 223 A N -1.218 121.535 122.820 -0.110 0.000 2.066 223 A HA 0.271 4.596 4.320 0.007 0.000 0.218 223 A C 1.940 179.469 177.584 -0.091 0.000 1.157 223 A CA 0.997 52.974 52.037 -0.100 0.000 0.670 223 A CB -0.805 18.123 19.000 -0.120 0.000 0.804 223 A HN 0.846 nan 8.150 nan 0.000 0.453 224 G N -2.553 106.189 108.800 -0.096 0.000 2.175 224 G HA2 -0.167 3.797 3.960 0.007 0.000 0.244 224 G HA3 -0.167 3.797 3.960 0.007 0.000 0.244 224 G C 1.215 176.079 174.900 -0.060 0.000 0.982 224 G CA 0.610 45.665 45.100 -0.075 0.000 0.641 224 G HN 1.329 nan 8.290 nan 0.000 0.527 225 G N 0.132 108.893 108.800 -0.065 0.000 2.650 225 G HA2 0.459 4.423 3.960 0.007 0.000 0.214 225 G HA3 0.459 4.423 3.960 0.007 0.000 0.214 225 G C 1.762 176.651 174.900 -0.019 0.000 1.136 225 G CA 1.695 46.769 45.100 -0.043 0.000 0.789 225 G HN 2.040 nan 8.290 nan 0.000 0.536 226 G N -0.814 107.976 108.800 -0.017 0.000 2.153 226 G HA2 0.084 4.048 3.960 0.007 0.000 0.252 226 G HA3 0.084 4.048 3.960 0.007 0.000 0.252 226 G C 0.562 175.500 174.900 0.063 0.000 0.994 226 G CA 0.364 45.475 45.100 0.019 0.000 0.698 226 G HN 1.398 nan 8.290 nan 0.000 0.521 227 A N -0.299 122.558 122.820 0.061 0.000 2.531 227 A HA 0.515 4.840 4.320 0.007 0.000 0.236 227 A C 0.696 178.449 177.584 0.281 0.000 1.062 227 A CA 1.141 53.263 52.037 0.141 0.000 0.760 227 A CB 0.380 19.442 19.000 0.103 0.000 0.995 227 A HN 0.702 nan 8.150 nan 0.000 0.501 228 K N 1.775 122.349 120.400 0.291 0.000 2.182 228 K HA 0.595 4.919 4.320 0.007 0.000 0.262 228 K C -0.004 176.768 176.600 0.288 0.000 0.957 228 K CA -0.407 56.065 56.287 0.308 0.000 0.842 228 K CB 1.381 33.994 32.500 0.188 0.000 1.099 228 K HN 0.853 nan 8.250 nan 0.000 0.438 229 A N 3.690 126.637 122.820 0.211 0.000 2.351 229 A HA 0.311 4.635 4.320 0.007 0.000 0.257 229 A C -0.034 177.493 177.584 -0.095 0.000 1.087 229 A CA -0.490 51.405 52.037 -0.237 0.000 0.798 229 A CB 0.375 19.070 19.000 -0.508 0.000 1.033 229 A HN 0.751 nan 8.150 nan 0.000 0.488 230 R N 0.785 121.203 120.500 -0.138 0.000 2.811 230 R HA 0.193 4.537 4.340 0.007 0.000 0.265 230 R C -2.289 173.993 176.300 -0.030 0.000 1.026 230 R CA -1.148 54.938 56.100 -0.024 0.000 1.142 230 R CB -0.594 29.733 30.300 0.046 0.000 1.027 230 R HN 0.581 nan 8.270 nan 0.000 0.465 231 P HA 0.162 nan 4.420 nan 0.000 0.276 231 P C 0.222 177.237 177.300 -0.476 0.000 1.244 231 P CA -0.099 62.893 63.100 -0.181 0.000 0.801 231 P CB 0.834 32.459 31.700 -0.125 0.000 1.006 232 G N 0.517 109.074 108.800 -0.404 0.000 2.163 232 G HA2 -0.234 3.730 3.960 0.007 0.000 0.213 232 G HA3 -0.234 3.730 3.960 0.007 0.000 0.213 232 G C -0.094 174.474 174.900 -0.553 0.000 0.991 232 G CA -0.277 44.517 45.100 -0.510 0.000 0.653 232 G HN 0.462 nan 8.290 nan 0.000 0.518 233 Y N 0.837 121.090 120.300 -0.078 0.000 2.660 233 Y HA 0.514 5.068 4.550 0.006 0.000 0.254 233 Y C 1.378 177.349 175.900 0.119 0.000 1.176 233 Y CA -0.100 57.956 58.100 -0.073 0.000 1.195 233 Y CB 0.809 39.071 38.460 -0.330 0.000 1.190 233 Y HN 1.197 nan 8.280 nan 0.000 0.535 234 G N -0.090 108.826 108.800 0.194 0.000 2.539 234 G HA2 -0.147 3.817 3.960 0.007 0.000 0.686 234 G HA3 -0.147 3.817 3.960 0.007 0.000 0.686 234 G C 0.195 175.171 174.900 0.126 0.000 1.258 234 G CA -0.964 44.229 45.100 0.156 0.000 0.846 234 G HN 0.178 nan 8.290 nan 0.000 0.647 235 R N -0.124 120.384 120.500 0.013 0.000 2.159 235 R HA -0.068 4.276 4.340 0.007 0.000 0.237 235 R C 2.744 178.977 176.300 -0.111 0.000 1.131 235 R CA 1.584 57.665 56.100 -0.032 0.000 0.982 235 R CB -0.213 30.053 30.300 -0.057 0.000 0.868 235 R HN 0.506 nan 8.270 nan 0.000 0.453 236 L N -0.072 121.003 121.223 -0.247 0.000 2.129 236 L HA -0.145 4.199 4.340 0.007 0.000 0.212 236 L C 1.085 177.571 176.870 -0.639 0.000 1.087 236 L CA 1.745 56.217 54.840 -0.614 0.000 0.757 236 L CB -0.176 41.319 42.059 -0.941 0.000 0.896 236 L HN 0.040 nan 8.230 nan 0.000 0.434 237 F N 0.783 120.685 119.950 -0.080 0.000 2.731 237 F HA 0.346 4.883 4.527 0.017 0.000 0.304 237 F C 1.328 177.178 175.800 0.083 0.000 1.133 237 F CA 0.570 58.609 58.000 0.066 0.000 1.380 237 F CB -1.363 37.690 39.000 0.089 0.000 1.079 237 F HN 0.305 nan 8.300 nan 0.000 0.550 238 D N 0.000 120.477 120.400 0.129 0.000 6.856 238 D HA 0.000 4.644 4.640 0.007 0.000 0.175 238 D CA 0.000 54.060 54.000 0.100 0.000 0.868 238 D CB 0.000 40.881 40.800 0.135 0.000 0.688 238 D HN 0.000 nan 8.370 nan 0.000 0.683